PUBCHEM-ZINC05041821 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.9530 2.5680 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 2.5590 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 1.5480 -1.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.5380 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -0.1690 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 0.4290 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 1.4620 -0.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.0320 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -1.3850 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -0.9960 -3.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 -1.1310 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -0.5140 -4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -0.4700 -5.3360 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 -0.0650 -5.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 0.5590 -6.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 1.4300 -6.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 2.0440 -7.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 1.7920 -8.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 0.9250 -8.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 0.3130 -7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 2.4520 -10.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9480 3.2160 -10.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 2.2320 -11.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4100 1.5870 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 2.8030 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 3.3200 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.3250 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 3.5410 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.3320 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 0.5180 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 0.1510 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -1.0980 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -2.1140 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -1.8260 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -2.1190 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -0.3670 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -1.0080 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -0.1750 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.6260 -5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 2.7210 -8.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 0.7310 -9.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -0.3600 -7.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END